SCHEMBL9045792

SCHEMBL9045792

COc1ccc(CCN(C)CCCNC(=O)C/C=C/c2ccc3c(c2)OCCO3)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.53
LMNA P02545 1/20 0.49
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTR2B P41595 1/20 0.45
HPGD P15428 2/20 0.45
OPRM1 P35372 2/20 0.45
TMEM97 Q5BJF2 2/20 0.45
SIGMAR1 Q99720 2/20 0.45
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 2/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
ALDH1A1 P00352 2/20 0.43
OPRK1 P41145 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8828397 0.95 L3MBTL1 (0.60) L3MBTL1HTR2AHTR2CHTR2BHPGD
SCHEMBL8828131 0.90 CYP3A4 (0.52) HPGDOPRM1TMEM97SIGMAR1MAPT
SCHEMBL8828147 0.85 MAPT (0.56) LMNAHPGDOPRM1TMEM97SIGMAR1
SCHEMBL8828235 0.85 MAPT (0.56) LMNAHPGDOPRM1TMEM97SIGMAR1
SCHEMBL8828659 0.84 CDK8 (0.49) LMNAHPGDOPRM1TMEM97SIGMAR1
SCHEMBL8828272 0.84 OPRM1 (0.47) HPGDOPRM1TMEM97SIGMAR1MAPT
SCHEMBL8828188 0.84 LMNA (0.49) LMNAOPRM1TMEM97SIGMAR1MAPT
SCHEMBL8828252 0.84 MAPT (0.49) HPGDOPRM1TMEM97SIGMAR1MAPT
SCHEMBL8828274 0.84 OPRM1 (0.49) HPGDOPRM1TMEM97SIGMAR1MAPT
SCHEMBL8828423 0.84 MAPT (0.53) LMNAHPGDOPRM1TMEM97SIGMAR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0344577-B1 Butenoic or propenoic acid derivatives EISAI CO LTD (JP) 1996-10-09 EP disclosed
US-5382595-A Antiischemic agents EISAI CO., LTD. (JP) 1995-01-17 US disclosed